Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ANPEP | P15144 | 2/20 | 0.65 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.65 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MITF | O75030 | 1/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | CNR2 | P34972 | 1/20 | 0.48 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.48 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.48 |
| ▸ | XBP1 | P17861 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL898462 | 0.89 | ANPEP (0.66) | ANPEPERAP2CHRM2ALDH1A1PKM | |
| SCHEMBL17504540 | 0.87 | ANPEP (0.63) | ANPEPERAP2CHRM2ALDH1A1PKM | |
| SCHEMBL21245400 | 0.87 | ANPEP (0.63) | ANPEPERAP2CHRM2ALDH1A1PKM | |
| SCHEMBL23367774 | 0.83 | ANPEP (0.58) | ANPEPERAP2CHRM2ALDH1A1PKM | |
| Hydrochloric Acid SCHEMBL10276301 | 0.83 | ANPEP (0.58) | ANPEPERAP2CHRM2ALDH1A1PKM | |
| Hydrochloric Acid SCHEMBL10276533 | 0.83 | ANPEP (0.58) | ANPEPERAP2CHRM2ALDH1A1PKM | |
| SCHEMBL121529 | 0.82 | CHRM2 (0.70) | CHRM2ALDH1A1PKMHTTSMN1; SMN2 | |
| SCHEMBL9918802 | 0.81 | ANPEP (0.56) | ANPEPERAP2CHRM2ALDH1A1PKM | |
| SCHEMBL3709824 | 0.81 | ANPEP (0.56) | ANPEPERAP2CHRM2ALDH1A1PKM | |
| SCHEMBL17238292 | 0.81 | ANPEP (0.56) | ANPEPERAP2CHRM2ALDH1A1PKM |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008039420-A2 | NOVEL INHIBITORS OF BETA-LACTAMASE | MERCK & CO., INC. (US) | 2008-04-03 | — | — | WO | disclosed |